BOINPYs: facile synthesis and photothermal properties triggered by photoinduced nonadiabatic decay

Photothermal agents (PTAs) represent a core component of photothermal therapy (PTT). However, the current photothermal dyes are almost derived from well-known chromophores such as porphyrins, cyanine, and BODIPYs, and the design of new chromophores as versatile building blocks for PTA is considerably challenging because of the complexity of the modulation of excited-states. Herein, we adopted the concept of photoinduced nonadiabatic decay (PIND) to develop a photothermal boron-containing indoline-3-one-pyridyl chromophore (viz. BOINPY) with a facile one-pot synthesis and high yields. BOINPY derivatives exhibited specific features that fully address the concerns related to the design of PTA. The behavior and mechanism of BOINPYs for generating heat through the conical intersection pathway, which is called PIND, have been well understood through theoretical calculations. After encapsulation into the F127 copolymer, BOINPY@F127 nanoparticles displayed efficient photothermal conversion and performed well in the treatment of solid tumors upon light irradiation with good biocompatibility. This study provides useful theoretical guidance and concrete photothermal chromophores, which offer a versatile strategy embedding tunable properties for the development of diverse high-performance PTA.